(3-cyclobutylphenyl)-(oxan-4-yl)methanamine

C16H23NO — CID 114603376

IUPAC(3-cyclobutylphenyl)-(oxan-4-yl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)C1CCOCC1
InChIInChI=1S/C16H23NO/c17-16(13-7-9-18-10-8-13)15-6-2-5-14(11-15)12-3-1-4-12/h2,5-6,11-13,16H,1,3-4,7-10,17H2
InChIKeyLPAWAVXHVGFYEL-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.38
Rot. Bonds3

About (3-cyclobutylphenyl)-(oxan-4-yl)methanamine

(3-cyclobutylphenyl)-(oxan-4-yl)methanamine (PubChem CID 114603376) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(oxan-4-yl)methanamine
PubChem CID114603376
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(3-cyclobutylphenyl)-(oxan-4-yl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)C1CCOCC1
InChIInChI=1S/C16H23NO/c17-16(13-7-9-18-10-8-13)15-6-2-5-14(11-15)12-3-1-4-12/h2,5-6,11-13,16H,1,3-4,7-10,17H2
InChIKeyLPAWAVXHVGFYEL-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(R)-(3-iodophenyl)-(oxan-4-yl)methanamine
CID 131503127
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
(3-cyclobutylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 114603995
[3-(aminomethyl)phenyl]-(oxan-4-yl)methanamine
CID 116937010
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114603703
(R)-naphthalen-2-yl(oxan-4-yl)methanamine
CID 171246771
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(oxan-4-yl)methanamine (CID 114603376) is (3-cyclobutylphenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(oxan-4-yl)methanamine is NC(c1cccc(C2CCC2)c1)C1CCOCC1.
What is the InChIKey of (3-cyclobutylphenyl)-(oxan-4-yl)methanamine?
The InChIKey is LPAWAVXHVGFYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-16(13-7-9-18-10-8-13)15-6-2-5-14(11-15)12-3-1-4-12/h2,5-6,11-13,16H,1,3-4,7-10,17H2.
What are the key properties of (3-cyclobutylphenyl)-(oxan-4-yl)methanamine?
(3-cyclobutylphenyl)-(oxan-4-yl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 114603376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).